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Compound Detail

CHEMBL1672760

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CCc1cc(=O)oc2nc(C3CC3)[nH]c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672760
Phase Preclinical
Structure Type MOL
InChI Key AGNDNMCPGBWVBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
1.32
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O3
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
24900295 10.1021/ml100251u Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine